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. 2017 May 5;13(6):2458–2480. doi: 10.1021/acs.jctc.7b00226

Table 5. Summary of Cluster Appearance in RECT Simulations of Different GQsa.

  cluster
simulation name 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23
1KF1 A ×   ×             ×           × ×   × ×      
1KF1 B ×         ×   ×       ×       × × × ×     ×  
1KF1 C ×       × ×   × ×         ×     × ×   ×     ×
1KF1 D × ×   ×   ×     ×   ×       ×   × ×         ×
2GKU A ×     ×   ×   × ×         × × ×   ×     × × ×
2MBJ A           ×       ×                     × × ×
2MBJ B       × × ×         ×     × ×           × ×  
a

Clusters that appeared in the simulations are indicated by a ‘×’ sign.